SCHEMBL874477

SCHEMBL874477

NC(=O)CC(=O)N1CCN(c2ccc(OC(F)F)c(OC3CCCC3)c2)CC1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.50
PDE4B Q07343 12/20 0.50
PDE4A P27815 10/20 0.50
PDE4C Q08493 10/20 0.50
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL682001 1.00 PDE4D (0.50) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL878173 0.98 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL878172 0.98 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL873460 0.93 NR1H2 (0.43) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL683079 0.93 NR1H2 (0.43) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL873675 0.91 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL682947 0.91 PDE4B (0.49) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL877035 0.90 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL877034 0.90 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CNR1H2
SCHEMBL877117 0.90 PDE4B (0.48) PDE4DPDE4BPDE4APDE4CNR1H2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP claimed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO claimed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US claimed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4D 3/4885PDE4B 2/4885PDE4A 1/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D PDE4D 3/4885PDE4B 2/4885PDE4A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.